Information card for entry 4001638

Structure parameters

• Common name: 01354
• Formula: C20 H44 B4 F16 Li4 O10
• Calculated formula: C20 H44 B4 F15.96 Li4 O10
• SMILES: [Li]1[F][B](F)(F)[F][Li]2([F][B](F)(F)[F]1)[F][B](F)(F)[F][Li][F][B](F)(F)[F]2.C[O]1CC[O]2CC[O]([Li]1234)CC[O]1CC[O]([Li]251[O](C)CC[O]5CC[O]2CC[O]3CC[O]4C)C
• Title of publication: Tetraglyme−Li+Cation Solvate Structures: Models for Amorphous Concentrated Liquid and Polymer Electrolytes (II)
• Authors of publication: Henderson, Wesley A.; Brooks, Neil R.; Young, Victor G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 4685
• a: 19.72 ± 0.002 Å
• b: 8.9762 ± 0.001 Å
• c: 21.36 ± 0.002 Å
• α: 90°
• β: 102.607 ± 0.002°
• γ: 90°
• Cell volume: 3689.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No